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GPCR

NameProteinase-activated receptor 2
SpeciesHomo sapiens (Human)
GeneF2RL1
SynonymProtease-activated receptor-2
PAR2
PAR-2
GPR11
G-protein coupled receptor 11
[ Show all ]
DiseaseN/A
Length397
Amino acid sequenceMRSPSAAWLLGAAILLAASLSCSGTIQGTNRSSKGRSLIGKVDGTSHVTGKGVTVETVFSVDEFSASVLTGKLTTVFLPIVYTIVFVVGLPSNGMALWVFLFRTKKKHPAVIYMANLALADLLSVIWFPLKIAYHIHGNNWIYGEALCNVLIGFFYGNMYCSILFMTCLSVQRYWVIVNPMGHSRKKANIAIGISLAIWLLILLVTIPLYVVKQTIFIPALNITTCHDVLPEQLLVGDMFNYFLSLAIGVFLFPAFLTASAYVLMIRMLRSSAMDENSEKKRKRAIKLIVTVLAMYLICFTPSNLLLVVHYFLIKSQGQSHVYALYIVALCLSTLNSCIDPFVYYFVSHDFRDHAKNALLCRSVRTVKQMQVSLTSKKHSRKSSSYSSSSTTVKTSY
UniProtP55085
Protein Data Bank5ndz, 5ndd
GPCR-HGmod modelP55085
3D structure modelThis structure is from PDB ID 5ndz.
BioLiPBL0377325, BL0377326
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5963
IUPHAR348
DrugBankN/A

Ligand

NameCHEMBL398128
Molecular formulaC41H66N10O7S
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
Molecular weight843.102
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP4.3
SynonymsBDBM50440856
Inchi KeyKRZOJYXLFVJWEZ-RARZTAELSA-N
Inchi IDInChI=1S/C41H66N10O7S/c1-9-24(7)33(35(42)53)50-37(55)28(18-22(3)4)48-36(54)27(15-13-17-45-41(43)44)47-32(52)21-46-40(58)34(25(8)10-2)51-38(56)29(19-23(5)6)49-39(57)31-20-26-14-11-12-16-30(26)59-31/h11-12,14,16,20,22-25,27-29,33-34H,9-10,13,15,17-19,21H2,1-8H3,(H2,42,53)(H,46,58)(H,47,52)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,43,44,45)/t24-,25-,27-,28-,29-,33-,34-/m0/s1
PubChem CID44433905
ChEMBLCHEMBL398128
IUPHARN/A
BindingDB50440856
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50100.0 nMPMID23895492BindingDB,ChEMBL
EC50370.0 nMPMID17765542ChEMBL

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